bis(4-benzamido-N-hydroxypyridine-2-carboxamide);methyl 4-aminopyridine-2-carboxylate;methyl 4-benzamidopyridine-2-carboxylate

C47H42N10O11 — CID 158702726

IUPACbis(4-benzamido-N-hydroxypyridine-2-carboxamide);methyl 4-aminopyridine-2-carboxylate;methyl 4-benzamidopyridine-2-carboxylate
SMILESCOC(=O)c1cc(N)ccn1.COC(=O)c1cc(NC(=O)c2ccccc2)ccn1.O=C(Nc1ccnc(C(=O)NO)c1)c1ccccc1.O=C(Nc1ccnc(C(=O)NO)c1)c1ccccc1
InChIInChI=1S/C14H12N2O3.2C13H11N3O3.C7H8N2O2/c1-19-14(18)12-9-11(7-8-15-12)16-13(17)10-5-3-2-4-6-10;2*17-12(9-4-2-1-3-5-9)15-10-6-7-14-11(8-10)13(18)16-19;1-11-7(10)6-4-5(8)2-3-9-6/h2-9H,1H3,(H,15,16,17);2*1-8,19H,(H,16,18)(H,14,15,17);2-4H,1H3,(H2,8,9)
InChIKeyIHTBHSJIVMMURL-UHFFFAOYSA-N
MW922.91 g/mol
LogP5.48
Rot. Bonds10

About bis(4-benzamido-N-hydroxypyridine-2-carboxamide);methyl 4-aminopyridine-2-carboxylate;methyl 4-benzamidopyridine-2-carboxylate

bis(4-benzamido-N-hydroxypyridine-2-carboxamide);methyl 4-aminopyridine-2-carboxylate;methyl 4-benzamidopyridine-2-carboxylate (PubChem CID 158702726) has the molecular formula C47H42N10O11 and a molecular weight of 922.91 g/mol. Its IUPAC name is bis(4-benzamido-N-hydroxypyridine-2-carboxamide);methyl 4-aminopyridine-2-carboxylate;methyl 4-benzamidopyridine-2-carboxylate.

Molecular Properties

Compound Namebis(4-benzamido-N-hydroxypyridine-2-carboxamide);methyl 4-aminopyridine-2-carboxylate;methyl 4-benzamidopyridine-2-carboxylate
PubChem CID158702726
Molecular FormulaC47H42N10O11
Molecular Weight922.91 g/mol
Exact Mass922.30
IUPAC Namebis(4-benzamido-N-hydroxypyridine-2-carboxamide);methyl 4-aminopyridine-2-carboxylate;methyl 4-benzamidopyridine-2-carboxylate
SMILESCOC(=O)c1cc(N)ccn1.COC(=O)c1cc(NC(=O)c2ccccc2)ccn1.O=C(Nc1ccnc(C(=O)NO)c1)c1ccccc1.O=C(Nc1ccnc(C(=O)NO)c1)c1ccccc1
InChIInChI=1S/C14H12N2O3.2C13H11N3O3.C7H8N2O2/c1-19-14(18)12-9-11(7-8-15-12)16-13(17)10-5-3-2-4-6-10;2*17-12(9-4-2-1-3-5-9)15-10-6-7-14-11(8-10)13(18)16-19;1-11-7(10)6-4-5(8)2-3-9-6/h2-9H,1H3,(H,15,16,17);2*1-8,19H,(H,16,18)(H,14,15,17);2-4H,1H3,(H2,8,9)
InChIKeyIHTBHSJIVMMURL-UHFFFAOYSA-N
XLogP5.48
TPSA316.14 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds10
Heavy Atoms68
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500922.91
LogP ≤ 55.48
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

sodium;methyl 4-aminopyridine-2-carboxylate;(E)-3-[3-[(3-methylbenzoyl)amino]phenyl]prop-2-enoic acid;methyl 4-[[(E)-3-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]prop-2-enoyl]amino]pyridine-2-carboxylate;4-[[(E)-3-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]prop-2-enoyl]amino]pyridine-2-carboxylic acid;hydroxide
CID 157988413
2,6-Difluoro-3-(trifluoromethyl)benzoic acid;methyl 4-aminopyridine-2-carboxylate;methyl 4-[[2,6-difluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylate
CID 160978199
2,6-Difluoro-4-(trifluoromethyl)benzoic acid;methyl 4-aminopyridine-2-carboxylate;methyl 4-[[2,6-difluoro-4-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylate
CID 162052307
methyl 5-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydrooxazin-5-yl]-6-fluoropyridine-2-carboxylate
CID 178131948
Ethyl 3-[[[6-[[[6-(ethoxymethyl)pyridine-2-carbonyl]amino]methyl]pyridine-2-carbonyl]amino]methyl]pyridine-2-carboxylate
CID 91557627
Disilver;tetrakis(methyl 4-(pyridin-4-ylcarbamoyl)benzoate);dinitrate
CID 139198327
methyl 4-[(E)-2-[3,5,6-tris[(E)-2-(2-methoxycarbonyl-4-pyridinyl)ethenyl]pyrazin-2-yl]ethenyl]pyridine-2-carboxylate
CID 19937830
methyl 3-[(E)-2-[3,5,6-tris[(E)-2-(2-methoxycarbonyl-3-pyridinyl)ethenyl]pyrazin-2-yl]ethenyl]pyridine-2-carboxylate
CID 19937841
Methyl 3-[2-[3,5,6-tris[2-(2-methoxycarbonyl-3-pyridinyl)ethenyl]pyrazin-2-yl]ethenyl]pyridine-2-carboxylate
CID 53651591
dibenzyl (2R)-2,7-bis(pyridine-2-carbonylamino)octanedioate
CID 53744806
Methyl 4-[2-[3,5,6-tris[2-(2-methoxycarbonyl-4-pyridinyl)ethenyl]pyrazin-2-yl]ethenyl]pyridine-2-carboxylate
CID 54273860
Methyl 4-[2-(4-acetamidophenyl)ethynyl]-6-[[4,7-bis[[4-[2-(4-acetamidophenyl)ethynyl]-6-methoxycarbonyl-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]pyridine-2-carboxylate
CID 117695721

Frequently Asked Questions

What is the IUPAC name of bis(4-benzamido-N-hydroxypyridine-2-carboxamide);methyl 4-aminopyridine-2-carboxylate;methyl 4-benzamidopyridine-2-carboxylate?
The IUPAC name of bis(4-benzamido-N-hydroxypyridine-2-carboxamide);methyl 4-aminopyridine-2-carboxylate;methyl 4-benzamidopyridine-2-carboxylate (CID 158702726) is bis(4-benzamido-N-hydroxypyridine-2-carboxamide);methyl 4-aminopyridine-2-carboxylate;methyl 4-benzamidopyridine-2-carboxylate.
What is the SMILES notation for bis(4-benzamido-N-hydroxypyridine-2-carboxamide);methyl 4-aminopyridine-2-carboxylate;methyl 4-benzamidopyridine-2-carboxylate?
The canonical SMILES for bis(4-benzamido-N-hydroxypyridine-2-carboxamide);methyl 4-aminopyridine-2-carboxylate;methyl 4-benzamidopyridine-2-carboxylate is COC(=O)c1cc(N)ccn1.COC(=O)c1cc(NC(=O)c2ccccc2)ccn1.O=C(Nc1ccnc(C(=O)NO)c1)c1ccccc1.O=C(Nc1ccnc(C(=O)NO)c1)c1ccccc1.
What is the InChIKey of bis(4-benzamido-N-hydroxypyridine-2-carboxamide);methyl 4-aminopyridine-2-carboxylate;methyl 4-benzamidopyridine-2-carboxylate?
The InChIKey is IHTBHSJIVMMURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3.2C13H11N3O3.C7H8N2O2/c1-19-14(18)12-9-11(7-8-15-12)16-13(17)10-5-3-2-4-6-10;2*17-12(9-4-2-1-3-5-9)15-10-6-7-14-11(8-10)13(18)16-19;1-11-7(10)6-4-5(8)2-3-9-6/h2-9H,1H3,(H,15,16,17);2*1-8,19H,(H,16,18)(H,14,15,17);2-4H,1H3,(H2,8,9).
What are the key properties of bis(4-benzamido-N-hydroxypyridine-2-carboxamide);methyl 4-aminopyridine-2-carboxylate;methyl 4-benzamidopyridine-2-carboxylate?
bis(4-benzamido-N-hydroxypyridine-2-carboxamide);methyl 4-aminopyridine-2-carboxylate;methyl 4-benzamidopyridine-2-carboxylate has a molecular weight of 922.91 g/mol, XLogP of 5.48, 10 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-benzamido-N-hydroxypyridine-2-carboxamide);methyl 4-aminopyridine-2-carboxylate;methyl 4-benzamidopyridine-2-carboxylate is sourced from PubChem (CID 158702726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).